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PUBCHEM-ZINC05317237

 MMsINC code: MMs03238635
Type: Neutral
Formula: C13H20F6N2O2
SMILES:   FC(F)(C(F)(F)C(=O)NC(CC)C)C(F)(F)C(=O)NC(CC)C
InChI:   InChI=1/C13H20F6N2O2/c1-5-7(3)20-9(22)11(14,15)13(18,19)12(16,17)10(23)21-8(4)6-2/h7-8H,5-6H2,1-4H3,(H,20,22)(H,21,23)/t7-,8+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.5162 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.303 g/mol  logS: -3.75808  SlogP: 3.9814  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0450726  Sterimol/B1: 2.33906  Sterimol/B2: 3.25783  Sterimol/B3: 3.81621
  Sterimol/B4: 5.70367  Sterimol/L: 16.825 
 
 Surface and Volume Properties
  Accessible surface: 564.792  Positive charged surface: 303.407  Negative charged surface: 261.385  Volume: 287
  Hydrophobic surface: 293.076  Hydrophilic surface: 271.716
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.